SCHEMBL10201261

SCHEMBL10201261

CCc1cc(-c2sc(C(=O)Nc3ccccc3Cl)cc2N)n(CC)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ESR1 P03372 1/20 0.38
ESRRG P62508 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10254436 0.89 NPC1 (0.36) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10201251 0.88 SMN1; SMN2 (0.48) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10201258 0.88 NPC1 (0.45) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10201232 0.87 STIM1 (0.54) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10201249 0.85 POLB (0.46) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10201245 0.81 STIM1 (0.38) NPC1RAB9AMAPTSMN1; SMN2STIM1
SCHEMBL10201259 0.79 SMN1; SMN2 (0.51) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10254454 0.76 STIM1 (0.50) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10201229 0.76 STIM1 (0.54) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL10201235 0.76 STIM1 (0.46) NPC1RAB9AMAPTKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885MAPT 1478/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885MAPT 1478/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885MAPT 1478/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.